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autumn carboxylate

Chemical Structure

General Material Information

Preferred name autumn carboxylate
Trivial Name Ethyl 2-methyl-4-oxo-6-pentyl-2-cyclohexene-1-carboxylate
Short Description calyxol (Quest)
Formula C15 H24 O3
CAS Number 59151-19-8
ECHA Number 261-629-6
FDA UNII Search
Nikkaji Number J308.631C
xLogP3-AA 3.30 (est)
NMR Predictor External link
Synonyms
  • calyxol (Quest)
  • 2-cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester
  • ethyl 2-methyl-4-oxo-6-pentyl cyclohex-2-ene carboxylate
  • ethyl 2-methyl-4-oxo-6-pentyl cyclohex-2-ene-1-carboxylate
  • ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate
  • ethyl 2-methyl-6-pentyl-4-oxocyclohex-2-ene-1-carboxylate
  • ethyl 2-methyl-6-pentyl-4-oxocyclohex-2-enecarboxylate
  • ethyl-2-methyl-6-pentyl-4-oxocyclohex-2-ene carboxylate
  • 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester
  • Ethyl 2-methyl-4-oxo-6-pentyl-2-cyclohexene-1-carboxylate

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2910.30.000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 252.35388183594
Specific gravity @ 25 °C
Pounds per Gallon 8.205 to 8.288
Refractive Index 1.475 to 1.481 @ 20 °C
Boiling Point 244 to 245°C @ 760 mm Hg
Flash Point TCC Value 98.89 °C TCC
logP (o/w) 3.439 est
Solubility
alcohol Yes
water, 7.423 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
sweet, anise, floral, clean, autumn, jasmin
Odor strength medium
Substantivity 24 hour(s) at 100.00 %
Luebke, William tgsc, (1985) At 100.00 %. sweet anise floral clean autumn jasmin

Potential Uses

Applications
Odor purposes Amber, Autumn, Incense, Jasmin, Orchid, Peach
Other purposes Calyx
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for autumn carboxylate usage levels up to:
20.0000 % in the fragrance concentrate.
Recommendation for autumn carboxylate flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):59151-19-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :100968
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate
Chemidplus:0059151198